CID 453081

2'f-dda-n-oxide

Structural Information

Molecular Formula
C10H12FN5O3
SMILES
C1[C@H](O[C@H]([C@H]1F)N2C=NC3=C2N=CN(C3=N)O)CO
InChI
InChI=1S/C10H12FN5O3/c11-6-1-5(2-17)19-10(6)15-3-13-7-8(12)16(18)4-14-9(7)15/h3-6,10,12,17-18H,1-2H2/t5-,6-,10+/m0/s1
InChIKey
PTEMTCLIAPVSOS-JFWOZONXSA-N
Compound name
[(2S,4S,5R)-4-fluoro-5-(1-hydroxy-6-iminopurin-9-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

269.0924 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.09968 156.1
[M+Na]+ 292.08162 167.4
[M-H]- 268.08512 157.2
[M+NH4]+ 287.12622 169.3
[M+K]+ 308.05556 163.6
[M+H-H2O]+ 252.08966 147.4
[M+HCOO]- 314.09060 173.2
[M+CH3COO]- 328.10625 167.5
[M+Na-2H]- 290.06707 158.5
[M]+ 269.09185 155.8
[M]- 269.09295 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.